Benzene, (3-chloro-1-methylpropyl)-
TL;DR: Benzene, (3-chloro-1-methylpropyl)- (CAS 13556-61-1) is a chemical compound with molecular formula C10H13Cl and molecular weight 168.07057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chlorobutan-2-ylbenzene
Also Known As: (4-chlorobutan-2-yl)benzene, 4-chlorobutan-2-ylbenzene, (3-Chloro-1-methylpropyl)benzene, 1-chloro-3-methyl-3-phenylpropane, (3-chloro-1-methyl-propyl)-benzene
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H13Cl |
| Molecular Weight | 168.07057 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.07057 Da |
| Heavy Atoms | 11 |
| Complexity | 95.0 |
| SMILES | CC(CCCl)C1=CC=CC=C1 |
| InChIKey | UANCUAZOWOJXPU-UHFFFAOYSA-N |
Chemical Property Profile of Benzene, (3-chloro-1-methylpropyl)-
Property Insights of Benzene, (3-chloro-1-methylpropyl)-
The XLogP value of 3.5 indicates that Benzene, (3-chloro-1-methylpropyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, (3-chloro-1-methylpropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (3-chloro-1-methylpropyl)- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzene, (3-chloro-1-methylpropyl)-?
The CAS number of Benzene, (3-chloro-1-methylpropyl)- is 13556-61-1.
What is the molecular formula of Benzene, (3-chloro-1-methylpropyl)-?
The molecular formula of Benzene, (3-chloro-1-methylpropyl)- is C10H13Cl.
What is the molecular weight of Benzene, (3-chloro-1-methylpropyl)-?
The molecular weight of Benzene, (3-chloro-1-methylpropyl)- is 168.07057 g/mol.
Where can I buy Benzene, (3-chloro-1-methylpropyl)-?
You can request a quote for Benzene, (3-chloro-1-methylpropyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzene, (3-chloro-1-methylpropyl)-?
Yes, CoreyChem provides custom synthesis services for Benzene, (3-chloro-1-methylpropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.